메뉴 건너뛰기




Volumn 8, Issue , 1996, Pages 145-202

Effective core potential approaches to the chemistry of the heavier elements

Author keywords

[No Author keywords available]

Indexed keywords


EID: 19944380529     PISSN: 10693599     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article
Times cited : (117)

References (224)
  • 3
    • 19944387856 scopus 로고    scopus 로고
    • GAMESS can be obtained directly, free of charge, from its developers in the Iowa State Quantum Chemistry Group (e-mail: mike@si.fi.ameslab.gov)
    • (c) GAMESS can be obtained directly, free of charge, from its developers in the Iowa State Quantum Chemistry Group (e-mail: mike@si.fi.ameslab.gov).
  • 4
    • 21844499371 scopus 로고
    • Compendium of Software for Molecular Modeling
    • K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York
    • (d) See, for example, D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1995, Vol. 7, pp. 303-380. Compendium of Software for Molecular Modeling.
    • (1995) Reviews in Computational Chemistry , vol.7 , pp. 303-380
    • Boyd, D.B.1
  • 6
    • 0005744966 scopus 로고
    • Compact Effective Potentials and Efficient, Shared-Exponent Basis Sets for the First- and Second-Row Atoms
    • (a) W. J. Stevens, H. Basch, and M. Krauss, J. Chem. Phys., 81, 6026 (1984). Compact Effective Potentials and Efficient, Shared-Exponent Basis Sets for the First- and Second-Row Atoms.
    • (1984) J. Chem. Phys. , vol.81 , pp. 6026
    • Stevens, W.J.1    Basch, H.2    Krauss, M.3
  • 7
    • 0001510524 scopus 로고
    • Relativistic Compact Effective Potentials and Efficient, Shared-Exponent Basis Sets for the Third-, Fourth-, and Fifth-Row Atoms
    • (b) M. Krauss, W. J. Stevens, H. Basch, and P. G. Jasien, Can. J. Chem., 70, 612 (1992). Relativistic Compact Effective Potentials and Efficient, Shared-Exponent Basis Sets for the Third-, Fourth-, and Fifth-Row Atoms.
    • (1992) Can. J. Chem. , vol.70 , pp. 612
    • Krauss, M.1    Stevens, W.J.2    Basch, H.3    Jasien, P.G.4
  • 8
    • 34548254354 scopus 로고
    • Effective Core Potential Methods for the Lanthanides
    • (c) T. R. Cundari and W. J. Stevens, J. Chem. Phys., 98, 5555 (1993). Effective Core Potential Methods for the Lanthanides.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5555
    • Cundari, T.R.1    Stevens, W.J.2
  • 9
    • 33745770836 scopus 로고
    • Ab Initio Effective Core Potentials for Molecular Calculations
    • P. J. Hay, and W. R. Wadt, J. Chem. Phys., 82, 270, 284, 299 (1985). Ab Initio Effective Core Potentials for Molecular Calculations.
    • (1985) J. Chem. Phys. , vol.82 , pp. 270
    • Hay, P.J.1    Wadt, W.R.2
  • 10
    • 84987111620 scopus 로고
    • Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. VI. Fr Through Pu
    • R. B. Ross, W. C. Ermler, and P. A. Christiansen, Int. J. Quantum Chem., 40, 829 (1991). Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. VI. Fr Through Pu.
    • (1991) Int. J. Quantum Chem. , vol.40 , pp. 829
    • Ross, R.B.1    Ermler, W.C.2    Christiansen, P.A.3
  • 11
    • 36448998560 scopus 로고
    • Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. V. Ce Through Lu
    • (b) R. B. Ross, S. Gayen, and W. C. Ermler, J. Chem. Phys., 100, 8145 (1994). Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. V. Ce Through Lu.
    • (1994) J. Chem. Phys. , vol.100 , pp. 8145
    • Ross, R.B.1    Gayen, S.2    Ermler, W.C.3
  • 13
    • 36549096954 scopus 로고
    • Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. III. Rb Through Xe
    • (d) L. A. Lajohn, P. A. Christiansen, R. B. Ross, T. Atashroo, and W. C. Ermler, J. Chem. Phys., 87, 2812 (1987). Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. III. Rb Through Xe.
    • (1987) J. Chem. Phys. , vol.87 , pp. 2812
    • Lajohn, L.A.1    Christiansen, P.A.2    Ross, R.B.3    Atashroo, T.4    Ermler, W.C.5
  • 14
    • 0000352837 scopus 로고
    • Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. II. K Through Kr
    • (e) M. M. Hurley, L. F. Pacios, P. A. Christiansen, R. B. Ross, and W. C. Ermler, J. Chem. Phys., 93, 6654 (1990). Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. II. K Through Kr.
    • (1990) J. Chem. Phys. , vol.93 , pp. 6654
    • Hurley, M.M.1    Pacios, L.F.2    Christiansen, P.A.3    Ross, R.B.4    Ermler, W.C.5
  • 15
    • 1542451966 scopus 로고
    • Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. I. Li Through Ar
    • (f) L. F. Pacios and P. A. Christiansen, J. Chem. Phys., 82, 2664 (1985). Ab Initio Relativistic Effective Potentials with Spin-Orbit Operators. I. Li Through Ar.
    • (1985) J. Chem. Phys. , vol.82 , pp. 2664
    • Pacios, L.F.1    Christiansen, P.A.2
  • 16
    • 82955202261 scopus 로고
    • Nonempirical Pseudopotentials for Molecular Calculations. I. the PSIBMOL Algorithm and Test Cases
    • J. C. Barthelat, P. Durand, and A. Serafini, Mol. Phys., 33, 159 (1977). Nonempirical Pseudopotentials for Molecular Calculations. I. The PSIBMOL Algorithm and Test Cases.
    • (1977) Mol. Phys. , vol.33 , pp. 159
    • Barthelat, J.C.1    Durand, P.2    Serafini, A.3
  • 17
    • 33646667685 scopus 로고
    • A Theoretical Method to Determine Atomic Pseudopotentials for Electronic Structure Calculations of Molecules and Solids
    • (b) P. Durand and J. C. Barthelat, Theor. Chim. Acta, 38, 283 (1975). A Theoretical Method to Determine Atomic Pseudopotentials for Electronic Structure Calculations of Molecules and Solids.
    • (1975) Theor. Chim. Acta , vol.38 , pp. 283
    • Durand, P.1    Barthelat, J.C.2
  • 18
    • 0001830702 scopus 로고
    • Minimal-Basis-Adapted Pseudopotentials for Transition Metal Atoms
    • (c) G. H. Jeung, J. C. Barthelat, and M. Pelissier, Chem. Phys. Lett., 91, 81 (1982). Minimal-Basis-Adapted Pseudopotentials for Transition Metal Atoms.
    • (1982) Chem. Phys. Lett. , vol.91 , pp. 81
    • Jeung, G.H.1    Barthelat, J.C.2    Pelissier, M.3
  • 21
    • 84931485363 scopus 로고
    • Pseudopotentials for Main-Group Elements (IIIa Through VIIa)
    • (b) G. Igel-Mann, H. Stoll, and H. Preuss, Mol. Phys., 65, 1321 (1988). Pseudopotentials for Main-Group Elements (IIIa Through VIIa).
    • (1988) Mol. Phys. , vol.65 , pp. 1321
    • Igel-Mann, G.1    Stoll, H.2    Preuss, H.3
  • 22
    • 0002452477 scopus 로고
    • Pseudopotential Study of the Rare Earth Monohydrides, Monoxides, and Monofluorides
    • (c) M. Dolg and H. Stoll, Theor. Chim. Acta, 75, 369 (1989). Pseudopotential Study of the Rare Earth Monohydrides, Monoxides, and Monofluorides.
    • (1989) Theor. Chim. Acta , vol.75 , pp. 369
    • Dolg, M.1    Stoll, H.2
  • 23
    • 36549093888 scopus 로고
    • Energy-Adjusted Ab Initio Pseudopotentials for the Rare Earth Elements
    • (d) M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys., 90, 1730 (1989). Energy-Adjusted Ab Initio Pseudopotentials for the Rare Earth Elements.
    • (1989) J. Chem. Phys. , vol.90 , pp. 1730
    • Dolg, M.1    Stoll, H.2    Preuss, H.3
  • 24
    • 0000432511 scopus 로고
    • Energy-Adjusted Ab-Initio Pseudopotentials for the First-Row Transition Elements
    • (e) M. Dolg, U. Wedig, H. Stoll, and H. Preuss, J. Chem. Phys., 86, (1987). Energy-Adjusted Ab-Initio Pseudopotentials for the First-Row Transition Elements.
    • (1987) J. Chem. Phys. , pp. 86
    • Dolg, M.1    Wedig, U.2    Stoll, H.3    Preuss, H.4
  • 26
    • 0000373339 scopus 로고
    • Effective Potentials in Molecular Quantum Chemistry
    • (a) M. Krauss and W. J. Stevens, Annu. Ref. Phys. Chem., 35, 357 (1984). Effective Potentials in Molecular Quantum Chemistry.
    • (1984) Annu. Ref. Phys. Chem. , vol.35 , pp. 357
    • Krauss, M.1    Stevens, W.J.2
  • 28
    • 84899103692 scopus 로고
    • Effective Hamiltonians and Pseudo Operators as Tools for Rigorous Modeling
    • (c) P. Durand and J. P. Malrieu, Adv. Chem. Phys., 67, 321 (1987). Effective Hamiltonians and Pseudo Operators as Tools for Rigorous Modeling.
    • (1987) Adv. Chem. Phys. , vol.67 , pp. 321
    • Durand, P.1    Malrieu, J.P.2
  • 31
    • 0348074199 scopus 로고
    • Quantum Chemistry of Coordination Compounds
    • (c) R. Boca and P. Pelikan, Coord. Chem. Rev., 118, 1 (1992). Quantum Chemistry of Coordination Compounds.
    • (1992) Coord. Chem. Rev. , vol.118 , pp. 1
    • Boca, R.1    Pelikan, P.2
  • 32
    • 19944400361 scopus 로고    scopus 로고
    • Effective Core Potential Studies of Transition Metal Chemistry
    • accepted for publication.
    • (d) T. R. Cundari and M. S. Gordon, Coord. Chem. Rev., accepted for publication. Effective Core Potential Studies of Transition Metal Chemistry.
    • Coord. Chem. Rev.
    • Cundari, T.R.1    Gordon, M.S.2
  • 33
    • 85022947534 scopus 로고
    • (e) Recent articles on the approaches to computational d- and f-block chemistry can be found in Chem. Rev., 91, 649-1108 (1991).
    • (1991) Chem. Rev. , vol.91 , pp. 649-1108
  • 34
    • 2342430094 scopus 로고
    • New Developments in Molecular Orbital Theory
    • C. C. J. Roothaan, Rev. Mod. Phys., 23, 68 (1951). New Developments in Molecular Orbital Theory.
    • (1951) Rev. Mod. Phys. , vol.23 , pp. 68
    • Roothaan, C.C.J.1
  • 36
    • 84962534251 scopus 로고
    • Applications of Post-Hartree-Fock Methods: A Tutorial
    • K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York
    • (b) R. J. Bartlett and J. F. Stanton, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5, pp. 65-169. Applications of Post-Hartree-Fock Methods: A Tutorial.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 65-169
    • Bartlett, R.J.1    Stanton, J.F.2
  • 37
    • 0002265510 scopus 로고
    • Are Atoms Intrinsic to Molecular Electronic Wavefunctions?
    • K. Ruedenberg, M. W. Schmidt, M. M. Dombek, and S. T. Elbert, Chem. Phys., 71, 41, 51, 65 (1982). Are Atoms Intrinsic to Molecular Electronic Wavefunctions?
    • (1982) Chem. Phys. , vol.71 , pp. 41
    • Ruedenberg, K.1    Schmidt, M.W.2    Dombek, M.M.3    Elbert, S.T.4
  • 38
    • 24244481065 scopus 로고
    • The Nature of the Transition Metal-Silicon Double Bond
    • (a) T. R. Cundari and M. S. Gordon, J. Phys. Chem., 96, 631 (1992). The Nature of the Transition Metal-Silicon Double Bond.
    • (1992) J. Phys. Chem. , vol.96 , pp. 631
    • Cundari, T.R.1    Gordon, M.S.2
  • 39
    • 0000909258 scopus 로고
    • Strategies for Designing High-Valent, Transition Metal Silylidene Ligands
    • (b) T. R. Cundari and M. S. Gordon, Organometallics, 11, 3122 (1992). Strategies for Designing High-Valent, Transition Metal Silylidene Ligands.
    • (1992) Organometallics , vol.11 , pp. 3122
    • Cundari, T.R.1    Gordon, M.S.2
  • 40
    • 0038218089 scopus 로고
    • Relativistic Effects in Structural Chemistry
    • (a) P. Pyykkö, Chem. Rev., 88, 563 (1988). Relativistic Effects in Structural Chemistry.
    • (1988) Chem. Rev. , vol.88 , pp. 563
    • Pyykkö, P.1
  • 41
    • 77956744340 scopus 로고
    • Relativistic Quantum Chemistry
    • (b) P. Pyykkö, Adv. Quantum Chem., 11, 353 (1978). Relativistic Quantum Chemistry.
    • (1978) Adv. Quantum Chem. , vol.11 , pp. 353
    • Pyykkö, P.1
  • 47
    • 6044249967 scopus 로고
    • Paramagnetic Metal Complexes as Water Proton Relaxation Agents for NMR Imaging: Theory and Design
    • (a) R. B. Lauffer, Chem. Rev., 87, 901 (1987). Paramagnetic Metal Complexes as Water Proton Relaxation Agents for NMR Imaging: Theory and Design.
    • (1987) Chem. Rev. , vol.87 , pp. 901
    • Lauffer, R.B.1
  • 48
    • 33845377370 scopus 로고
    • Highly Reactive Organolanthanides. A Mechanistic Study of Catalytic Olefin Hydrogenation by Bis(Pentamethylcyclopentadienyl) and Related Complexes
    • (b) G. Jeske, H. Lauke, H. Mauermann, H. Schumann, and T. J. Marks, J. Am. Chem. Soc., 107, 8111 (1985). Highly Reactive Organolanthanides. A Mechanistic Study of Catalytic Olefin Hydrogenation by Bis(Pentamethylcyclopentadienyl) and Related Complexes.
    • (1985) J. Am. Chem. Soc. , vol.107 , pp. 8111
    • Jeske, G.1    Lauke, H.2    Mauermann, H.3    Schumann, H.4    Marks, T.J.5
  • 49
    • 19944399016 scopus 로고
    • Organolanthanides in Catalysis
    • (c) G. W. Parshall and P. L. Watson, Acc. Chem. Res., 18, 51 (1985). Organolanthanides in Catalysis.
    • (1985) Acc. Chem. Res. , vol.18 , pp. 51
    • Parshall, G.W.1    Watson, P.L.2
  • 50
    • 33845185742 scopus 로고
    • Structural Aspects of High Temperature Superconductors
    • (d) C. N. R. Rao and B. Raveau, Acc. Chem. Res., 22, 106 (1989). Structural Aspects of High Temperature Superconductors.
    • (1989) Acc. Chem. Res. , vol.22 , pp. 106
    • Rao, C.N.R.1    Raveau, B.2
  • 52
    • 0025248402 scopus 로고
    • Molecular Modeling Software and Methods for Medicinal Chemistry
    • (a) N. C. Cohen, J. M. Blaney, C. Humblet, P. Gund, and D. C. Barry, J. Med. Chem., 33, 883 (1990). Molecular Modeling Software and Methods for Medicinal Chemistry.
    • (1990) J. Med. Chem. , vol.33 , pp. 883
    • Cohen, N.C.1    Blaney, J.M.2    Humblet, C.3    Gund, P.4    Barry, D.C.5
  • 53
    • 15944378734 scopus 로고
    • A Perspective of Modern Methods in Computer-Aided Drug Design
    • K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York
    • (b) L. M. Balbes, S. W. Mascarella, and D. B. Boyd, in Reviews in Computational Chemistry, K. B. Lipkowitz and D. B. Boyd, Eds., VCH Publishers, New York, 1994, Vol. 5., pp. 337-379. A Perspective of Modern Methods in Computer-Aided Drug Design.
    • (1994) Reviews in Computational Chemistry , vol.5 , pp. 337-379
    • Balbes, L.M.1    Mascarella, S.W.2    Boyd, D.B.3
  • 54
    • 0001944457 scopus 로고
    • Computer-Aided Molecular Design
    • A. Kent and J. G. Williams, Eds., Marcel Dekker, New York
    • (c) D. B. Boyd, in Encyclopedia of Computer Science and Technology, A. Kent and J. G. Williams, Eds., Marcel Dekker, New York, 1995, Vol. 33 (Suppl. 18), pp. 41-71. Computer-Aided Molecular Design.
    • (1995) Encyclopedia of Computer Science and Technology , vol.33 , Issue.18 SUPPL. , pp. 41-71
    • Boyd, D.B.1
  • 56
    • 0008038706 scopus 로고
    • Ab Initio Effective Core Potentials Including Relativistic Effects. I. Formalism and Applications to Xe and Au Atoms
    • (b) Y. S. Lee, W. C. Ermler, and K. S. Pitzer, J. Chem. Phys., 67, 5861 (1977). Ab Initio Effective Core Potentials Including Relativistic Effects. I. Formalism and Applications to Xe and Au Atoms.
    • (1977) J. Chem. Phys. , vol.67 , pp. 5861
    • Lee, Y.S.1    Ermler, W.C.2    Pitzer, K.S.3
  • 57
    • 36549098726 scopus 로고
    • An Effective Core Potential Investigation of Ni, Pd, and Pt and Their Monohydrides
    • A few representative examples of application of ECPs to complexes of the third transition series are given below. References (a)-(f) use Hay-Wadt ECPs, and the remaining two references use ECPs developed by Swang and co-workers. (a) C. M. Rohlfing, P. J. Hay, and R. L. Martin, J. Chem. Phys., 85, 1447 (1986). An Effective Core Potential Investigation of Ni, Pd, and Pt and Their Monohydrides.
    • (1986) J. Chem. Phys. , vol.85 , pp. 1447
    • Rohlfing, C.M.1    Hay, P.J.2    Martin, R.L.3
  • 58
    • 33845281485 scopus 로고
    • Bond Energy and Other Properties of the Re-Re Quadruple Bond
    • (b) D. C. Smith and W. A. Goddard, J. Am. Chem. Soc., 109, 5580 (1987). Bond Energy and Other Properties of the Re-Re Quadruple Bond.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 5580
    • Smith, D.C.1    Goddard, W.A.2
  • 61
    • 36549095235 scopus 로고
    • An Effective Core Potential Investigation of the Mono- and Tetracarbonyls of Ni, Pd, and Pt
    • (e) C. M. Rohlfing and P. J. Hay, J. Chem. Phys., 83, 4641 (1985). An Effective Core Potential Investigation of the Mono- and Tetracarbonyls of Ni, Pd, and Pt.
    • (1985) J. Chem. Phys. , vol.83 , pp. 4641
    • Rohlfing, C.M.1    Hay, P.J.2
  • 62
    • 33751158191 scopus 로고
    • Oxo and Nitride Complexes of Molybdenum, Tungsten, Rhenium and Osmium. A Theoretical Study
    • (f) A. Neuhaus, A. Veldkamp, and G. Frenking, Inorg. Chem., 35, 5278 (1994), and references therein. Oxo and Nitride Complexes of Molybdenum, Tungsten, Rhenium and Osmium. A Theoretical Study.
    • (1994) Inorg. Chem. , vol.35 , pp. 5278
    • Neuhaus, A.1    Veldkamp, A.2    Frenking, G.3
  • 63
    • 0039682703 scopus 로고
    • Theoretical Study of Methane Activation by Re, Os, Tr, and Pt
    • (g) O. Swang, K. Faegri, Jr., and O. Gropen, J. Phys. Chem., 98, 3006 (1994). Theoretical Study of Methane Activation by Re, Os, Tr, and Pt.
    • (1994) J. Phys. Chem. , vol.98 , pp. 3006
    • Swang, O.1    Faegri Jr., K.2    Gropen, O.3
  • 65
    • 0028368341 scopus 로고
    • 5): Comparison of Terminal Zr-E Single and Zr=E Double Bond Lengths
    • 5): Comparison of Terminal Zr-E Single and Zr=E Double Bond Lengths.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 606
    • Parkin, G.1    Howard, W.A.2
  • 66
    • 0000086866 scopus 로고
    • An Effective Core Potential Study of Transition Metal Chalcogenides. I. Molecular Structure
    • (b) M. T. Benson, T. R. Cundari, S. J. Lim, H. D. Nguyen, and K. Pierce-Beaver, J. Am. Chem. Soc., 116, 3955 (1994). An Effective Core Potential Study of Transition Metal Chalcogenides. I. Molecular Structure.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 3955
    • Benson, M.T.1    Cundari, T.R.2    Lim, S.J.3    Nguyen, H.D.4    Pierce-Beaver, K.5
  • 67
    • 0002010637 scopus 로고
    • A Multiconfiguration Relativistic Dirac-Fock Program
    • J. P. Desclaux, Comput. Phys. Commun., 9, 31 (1975). A Multiconfiguration Relativistic Dirac-Fock Program.
    • (1975) Comput. Phys. Commun. , vol.9 , pp. 31
    • Desclaux, J.P.1
  • 68
    • 36749115990 scopus 로고
    • Improved Ab Initio Effective Core Potentials for Molecular Calculations
    • P. A. Christiansen, Y. S. Lee, and K. S. Pitzer, J. Chem. Phys., 71, 4445 (1979). Improved Ab Initio Effective Core Potentials for Molecular Calculations.
    • (1979) J. Chem. Phys. , vol.71 , pp. 4445
    • Christiansen, P.A.1    Lee, Y.S.2    Pitzer, K.S.3
  • 70
    • 36749109087 scopus 로고
    • Ab Initio Effective Core Potentials: Reduction of All-Electron Molecular Orbital Calculations to Calculations Involving only Valence Orbitals
    • L. R. Kahn, P. Baybutt, and D. G. Truhlar, J. Chem. Phys., 65, 3826 (1976). Ab Initio Effective Core Potentials: Reduction of All-Electron Molecular Orbital Calculations to Calculations Involving Only Valence Orbitals.
    • (1976) J. Chem. Phys. , vol.65 , pp. 3826
    • Kahn, L.R.1    Baybutt, P.2    Truhlar, D.G.3
  • 73
    • 0001319144 scopus 로고
    • From Force Fields to Dynamics: Classical and Quantal Paths
    • D. G. Truhlar and M. S. Gordon, Science, 249, 491 (1990). From Force Fields to Dynamics: Classical and Quantal Paths.
    • (1990) Science , vol.249 , pp. 491
    • Truhlar, D.G.1    Gordon, M.S.2
  • 74
    • 36549095692 scopus 로고
    • An Improved Algorithm for Reaction Path Following
    • (b) C. Gonzalez and H. B. Schlegel, J. Chem. Phys., 90, 2154 (1989). An Improved Algorithm for Reaction Path Following.
    • (1989) J. Chem. Phys. , vol.90 , pp. 2154
    • Gonzalez, C.1    Schlegel, H.B.2
  • 75
    • 0004130242 scopus 로고
    • American Chemical Society, New York
    • In his 1923 monograph outlining and organizing the now well-known octet rule, Lewis makes specific mention of the greater tendency of heavier elements such as thallium, unlike lighter congeners such as aluminum, to exhibit less than maximum valency (p. 61), the scarcity of multiple bonds that do not involve carbon, oxygen, and nitrogen (pp. 94 and 96), and the ability of phosphorus and sulfur to expand their octets unlike lighter congeners (pp. 101-103). G. N. Lewis, Valence and the Structure of Atoms and Molecules, American Chemical Society, New York, 1923.
    • (1923) Valence and the Structure of Atoms and Molecules
    • Lewis, G.N.1
  • 76
    • 0004219668 scopus 로고
    • Harper & Row, New York
    • An indicator of the interest in these central questions of inorganic chemistry is given by their prevalence in introductory inorganic texts. For example, see Ref. 29 and (a) J. E. Huheey, Inorganic Chemistry, Harper & Row, New York, 1983.
    • (1983) Inorganic Chemistry
    • Huheey, J.E.1
  • 78
    • 0343265434 scopus 로고
    • Chemical Bonding in Higher Main Group Elements
    • W. Kutzelnigg, Angew. Chem., Int. Ed. Engl., 23, 272 (1984). Chemical Bonding in Higher Main Group Elements.
    • (1984) Angew. Chem., Int. Ed. Engl. , vol.23 , pp. 272
    • Kutzelnigg, W.1
  • 79
    • 0011637333 scopus 로고
    • Comparison of Ab Initio and Semiempirical Pseudopotentials for Ca in Calculations for CaO
    • G. Igel-Mann, M. Dolg, U. Wedig, H. Preuss, and H. Stoll, J. Chem. Phys., 86, 6348 (1987). Comparison of Ab Initio and Semiempirical Pseudopotentials for Ca in Calculations for CaO.
    • (1987) J. Chem. Phys. , vol.86 , pp. 6348
    • Igel-Mann, G.1    Dolg, M.2    Wedig, U.3    Preuss, H.4    Stoll, H.5
  • 80
    • 19944400024 scopus 로고
    • Cs Cluster Binding to a GaAs Surface
    • (a) M. Krauss and W. J. Stevens, J. Chem. Phys., 93, 8915 (1990). Cs Cluster Binding to a GaAs Surface.
    • (1990) J. Chem. Phys. , vol.93 , pp. 8915
    • Krauss, M.1    Stevens, W.J.2
  • 82
    • 38249024962 scopus 로고
    • Polarizabilities of Alkali Clusters
    • (c) M. Krauss and W. J. Stevens, Chem. Phys. Lett., 164, 514 (1989). Polarizabilities of Alkali Clusters.
    • (1989) Chem. Phys. Lett. , vol.164 , pp. 514
    • Krauss, M.1    Stevens, W.J.2
  • 83
    • 0000226660 scopus 로고
    • The Inverted Li-Na Electronegativity: Polarity of Inorganic and Organometallic Alkali Metal Compounds
    • C. Lambert, M. Kaupp, and P. v. R. Schleyer, Organometallics, 12, 853 (1993). The Inverted Li-Na Electronegativity: Polarity of Inorganic and Organometallic Alkali Metal Compounds.
    • (1993) Organometallics , vol.12 , pp. 853
    • Lambert, C.1    Kaupp, M.2    Schleyer, P.V.R.3
  • 84
    • 0001372724 scopus 로고
    • The Question of Bending of the Alkaline Earth Dihalides. An Ab Initio Pseudopotential Study
    • M. Kaupp, P. v. R. Schleyer, H. Stoll, and H. Preuss, J. Am. Chem. Soc., 113, 6012 (1991). The Question of Bending of the Alkaline Earth Dihalides. An Ab Initio Pseudopotential Study.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 6012
    • Kaupp, M.1    Schleyer, P.V.R.2    Stoll, H.3    Preuss, H.4
  • 85
    • 0006688476 scopus 로고
    • Theoretical Studies of the Stability of Tl-C σ Bonds in Aliphatic Organothallium Compounds
    • (a) P. Schwerdtfeger, P. D. W. Boyd, G. A. Bowmaker, H. G. Mack, and H. Oberhammer, J. Am. Chem. Soc., 111, 15 (1989). Theoretical Studies of the Stability of Tl-C σ Bonds in Aliphatic Organothallium Compounds.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 15
    • Schwerdtfeger, P.1    Boyd, P.D.W.2    Bowmaker, G.A.3    Mack, H.G.4    Oberhammer, H.5
  • 86
    • 0000808930 scopus 로고
    • Low Valencies and Periodic Trends in Heavy Element Chemistry. A Theoretical Study of Relativistic Effects and Electron Correlation Effects in Group 13 and Period 6 Hydrides and Halides
    • (b) P. Schwerdtfeger, G. A. Heath, M. Dolg, and M. A. Bennett, J. Am. Chem. Soc., 114, 7518 (1992). Low Valencies and Periodic Trends in Heavy Element Chemistry. A Theoretical Study of Relativistic Effects and Electron Correlation Effects in Group 13 and Period 6 Hydrides and Halides.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 7518
    • Schwerdtfeger, P.1    Heath, G.A.2    Dolg, M.3    Bennett, M.A.4
  • 89
    • 0009953153 scopus 로고
    • Thermodynamic Evaluation of the Inert Pair Effect
    • R. S. Drago, J. Phys. Chem., 62, 353 (1958). Thermodynamic Evaluation of the Inert Pair Effect.
    • (1958) J. Phys. Chem. , vol.62 , pp. 353
    • Drago, R.S.1
  • 90
    • 0039128076 scopus 로고
    • Relativistic Effects in Gold Chemistry. I. Diatomic Gold Compounds
    • Relativistic effects in the other elements in which they are considerable (e.g., mercury and gold chemistry) have also been investigated. (a) P. Schwerdtfeger, M. Dolg, W. H. E. Schwarz, G. A. Bowmaker, and P. D. W. Boyd, J. Chem. Phys., 91, 1762 (1989). Relativistic Effects in Gold Chemistry. I. Diatomic Gold Compounds.
    • (1989) J. Chem. Phys. , vol.91 , pp. 1762
    • Schwerdtfeger, P.1    Dolg, M.2    Schwarz, W.H.E.3    Bowmaker, G.A.4    Boyd, P.D.W.5
  • 93
    • 0000834983 scopus 로고
    • Theoretical Studies of Silicon Chemistry
    • Silicon is the most widely studied of heavier tetrels; items (a)-(c) are general references to calculations on Si chemistry and all-electron and ECP methods; references to transition metal complexes of Si can be found in Ref. 14. (a) K. K. Baldridge, J. A. Boatz, S. Koseki, and M. S. Gordon, Annu. Rev. Phys. Chem., 38, 211 (1987). Theoretical Studies of Silicon Chemistry.
    • (1987) Annu. Rev. Phys. Chem. , vol.38 , pp. 211
    • Baldridge, K.K.1    Boatz, J.A.2    Koseki, S.3    Gordon, M.S.4
  • 95
    • 19944388826 scopus 로고
    • Recent Advances in Computational Silicon Chemistry
    • (c) R. Janoschek and I. Csizmadia, Eds., Recent Advances in Computational Silicon Chemistry, special issue of J. Mol. Struct. (THEOCHEM), 1994.
    • (1994) J. Mol. Struct. (THEOCHEM) , Issue.SPEC. ISSUE
    • Janoschek, R.1    Csizmadia, I.2
  • 97
    • 24344508138 scopus 로고
    • The Structure and Bonding in Group IV [1.1.1] Propellanes
    • M. S. Gordon, K. A. Nguyen, and M. T. Carroll, Polyhedron, 10, 1247 (1991). The Structure and Bonding in Group IV [1.1.1] Propellanes.
    • (1991) Polyhedron , vol.10 , pp. 1247
    • Gordon, M.S.1    Nguyen, K.A.2    Carroll, M.T.3
  • 98
    • 36549095696 scopus 로고
    • The Characterization of Atomic Interactions
    • R. F. W. Bader and H. Essen, J. Chem. Phys., 80, 1943 (1983). The Characterization of Atomic Interactions.
    • (1983) J. Chem. Phys. , vol.80 , pp. 1943
    • Bader, R.F.W.1    Essen, H.2
  • 99
    • 33845283002 scopus 로고
    • π-Bond Strengths in the Second and Third Periods
    • (a) M. W. Schmidt, P. N. Truong, and M. S. Gordon, J. Am. Chem. Soc., 109, 5217 (1987). π-Bond Strengths in the Second and Third Periods.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 5217
    • Schmidt, M.W.1    Truong, P.N.2    Gordon, M.S.3
  • 101
    • 0001057495 scopus 로고
    • Trans Bending at Double Bonds. Scrutiny of Various Rationales Through Valence-Bond Analysis
    • (a) G. Trinquier and J. P. Malrieu, J. Phys. Chem., 94, 6184 (1990). trans Bending at Double Bonds. Scrutiny of Various Rationales Through Valence-Bond Analysis.
    • (1990) J. Phys. Chem. , vol.94 , pp. 6184
    • Trinquier, G.1    Malrieu, J.P.2
  • 102
    • 33845282588 scopus 로고
    • Nonclassical Distortions at Double Bonds
    • (b) G. Trinquier and J. P. Malrieu, J. Am. Chem. Soc., 109, 5303 (1987). Nonclassical Distortions at Double Bonds.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 5303
    • Trinquier, G.1    Malrieu, J.P.2
  • 103
    • 33845184652 scopus 로고
    • Trans Bending at Double Bonds. Occurrence and Extent
    • (c) G. Trinquier and J. P. Malrieu, J. Am. Chem. Soc., 111, 5916 (1989). trans Bending at Double Bonds. Occurrence and Extent.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 5916
    • Trinquier, G.1    Malrieu, J.P.2
  • 104
  • 105
    • 12044257523 scopus 로고
    • The Coordination Polymerization of Silanes to Polysilanes by a σ-Bond Metathesis Mechanism. Implications for Linear Chain Growth
    • T. D. Tilley, Acc. Chem. Res., 26, 22 (1993). The Coordination Polymerization of Silanes to Polysilanes by a σ-Bond Metathesis Mechanism. Implications for Linear Chain Growth.
    • (1993) Acc. Chem. Res. , vol.26 , pp. 22
    • Tilley, T.D.1
  • 107
    • 0011083499 scopus 로고
    • Intermolecular Interactions from a Natural Bond Order, Donor-Acceptor Viewpoint
    • A. E. Reed, L. A. Curtiss, and F. Weinhold, Chem. Rev., 88, 899 (1988). Intermolecular Interactions from a Natural Bond Order, Donor-Acceptor Viewpoint.
    • (1988) Chem. Rev. , vol.88 , pp. 899
    • Reed, A.E.1    Curtiss, L.A.2    Weinhold, F.3
  • 108
    • 0000717122 scopus 로고
    • Structures of Model Phosphinoamide Anions
    • G. Trinquier and M. T. Ashby, Inorg. Chem., 33, 1306 (1994). Structures of Model Phosphinoamide Anions.
    • (1994) Inorg. Chem. , vol.33 , pp. 1306
    • Trinquier, G.1    Ashby, M.T.2
  • 113
    • 0000219624 scopus 로고
    • Stabilities and Energetics of Inorganic Benzene Isomers: Prismanes
    • N. Matsunaga and M. S. Gordon, J. Am. Chem. Soc., 116, 11407 (1994). Stabilities and Energetics of Inorganic Benzene Isomers: Prismanes.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 11407
    • Matsunaga, N.1    Gordon, M.S.2
  • 115
    • 0001448271 scopus 로고
    • Trends in Inversion Barriers. 1. Group 15 Hydrides
    • P. Schwerdtfeger, L. Laaksonen, and P. Pyykkö, J. Chem. Phys., 96, 6807 (1992). Trends in Inversion Barriers. 1. Group 15 Hydrides.
    • (1992) J. Chem. Phys. , vol.96 , pp. 6807
    • Schwerdtfeger, P.1    Laaksonen, L.2    Pyykkö, P.3
  • 117
    • 33751158999 scopus 로고
    • - Anions Containing a Group 15 Central Atom (X = P, As, Sb, Bi)
    • - Anions Containing a Group 15 Central Atom (X = P, As, Sb, Bi).
    • (1994) Inorg. Chem. , vol.33 , pp. 551
    • Moc, J.1    Morokuma, K.2
  • 119
    • 0000903744 scopus 로고
    • Model Potential Methods in Molecular Calculations
    • (a) S. Huzinaga, M. Klobukowski, and Y. Sakai, J. Phys. Chem., 88, 4880 (1984). Model Potential Methods in Molecular Calculations.
    • (1984) J. Phys. Chem. , vol.88 , pp. 4880
    • Huzinaga, S.1    Klobukowski, M.2    Sakai, Y.3
  • 121
    • 84988129108 scopus 로고
    • Model Potentials for Metal Calculations. I. the sd-MP Set for Transition Metal Atoms Sc Through Hg
    • (c) Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comput. Chem. 8, 226 (1987). Model Potentials for Metal Calculations. I. The sd-MP Set for Transition Metal Atoms Sc Through Hg.
    • (1987) J. Comput. Chem. , vol.8 , pp. 226
    • Sakai, Y.1    Miyoshi, E.2    Klobukowski, M.3    Huzinaga, S.4
  • 122
    • 0001255519 scopus 로고
    • Cu and Ag as One-Valence-Electron Atoms: Pseudopotential CI Results for CuO and AgO
    • (a) G. Igel, U. Wedig, M. Dolg, P. Fuentealba, H. Preuss, H. Stoll, and R. Frey, J. Chem. Phys., 81, 2737 (1984). Cu and Ag as One-Valence-Electron Atoms: Pseudopotential CI Results for CuO and AgO.
    • (1984) J. Chem. Phys. , vol.81 , pp. 2737
    • Igel, G.1    Wedig, U.2    Dolg, M.3    Fuentealba, P.4    Preuss, H.5    Stoll, H.6    Frey, R.7
  • 126
    • 0011644261 scopus 로고
    • Effective Core Potential Calculations on Small Molecules Containing Transition Metal Atoms
    • O. Gropen, U. Walgren, and L. Pettersson, Chem. Phys., 66, 459 (1982). Effective Core Potential Calculations on Small Molecules Containing Transition Metal Atoms.
    • (1982) Chem. Phys. , vol.66 , pp. 459
    • Gropen, O.1    Walgren, U.2    Pettersson, L.3
  • 127
    • 36549101908 scopus 로고
    • Electronic Structure of FeO and RuO
    • M. Krauss and W. J. Stevens, J. Chem. Phys., 82, 5584 (1985). Electronic Structure of FeO and RuO.
    • (1985) J. Chem. Phys. , vol.82 , pp. 5584
    • Krauss, M.1    Stevens, W.J.2
  • 134
    • 10144223417 scopus 로고
    • Gaussian Basis Sets for Molecular Calculations. the Representation of 3d Orbitals in Transition-Metal Atoms
    • P. J. Hay, J. Chem. Phys., 66, 4380 (1977). Gaussian Basis Sets for Molecular Calculations. The Representation of 3d Orbitals in Transition-Metal Atoms.
    • (1977) J. Chem. Phys. , vol.66 , pp. 4380
    • Hay, P.J.1
  • 135
    • 19944369022 scopus 로고
    • Supplemental Basis Functions for the Second Transition Row Elements
    • S. P. Walch, C. W. Bauschlicher, Jr., and C. J. Nelin, J. Chem. Phys., 79, 1983 (1983). Supplemental Basis Functions for the Second Transition Row Elements.
    • (1983) J. Chem. Phys. , vol.79 , pp. 1983
    • Walch, S.P.1    Bauschlicher Jr., C.W.2    Nelin, C.J.3
  • 136
    • 0001191391 scopus 로고
    • Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes
    • (a) T. R. Cundari and M. S. Gordon, J. Am. Chem. Soc., 113, 5231 (1991). Principal Resonance Contributors to High-Valent, Transition-Metal Alkylidene Complexes.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 5231
    • Cundari, T.R.1    Gordon, M.S.2
  • 137
    • 0002587485 scopus 로고
    • Theoretical Investigations of Olefin Metathesis Catalysts
    • (b) T. R. Cundari and M. S. Gordon, Organometallics, 11, 55 (1992). Theoretical Investigations of Olefin Metathesis Catalysts.
    • (1992) Organometallics , vol.11 , pp. 55
    • Cundari, T.R.1    Gordon, M.S.2
  • 138
    • 5244290129 scopus 로고
    • Further Investigations of High-Valent, Transition Metal Alkylidene Complexes
    • (c) T. R. Cundari and M. S. Gordon, J. Am. Chem. Soc., 114, 539 (1992). Further Investigations of High-Valent, Transition Metal Alkylidene Complexes.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 539
    • Cundari, T.R.1    Gordon, M.S.2
  • 144
    • 0000854022 scopus 로고
    • Theoretical Studies of Inorganic and Organometallic Mechanisms. 6. Methane Activation on Transient Cyclopentadienylcarbonylrhodium
    • J. Song and M. B. Hall, Organometallics, 12, 3118 (1993), and earlier contributions in this series. Theoretical Studies of Inorganic and Organometallic Mechanisms. 6. Methane Activation on Transient Cyclopentadienylcarbonylrhodium.
    • (1993) Organometallics , vol.12 , pp. 3118
    • Song, J.1    Hall, M.B.2
  • 145
    • 0039846632 scopus 로고
    • Methane Activation by Group IVB Imido Complexes
    • (a) T. R. Cundari, J. Am. Chem. Soc., 114, 10557 (1992). Methane Activation by Group IVB Imido Complexes.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10557
    • Cundari, T.R.1
  • 146
    • 0028493882 scopus 로고
    • Methane Activation by Group VB Bis(Imido) Complexes
    • (b) T. R. Cundari, Organometallics, 13, 2987 (1994). Methane Activation by Group VB Bis(Imido) Complexes.
    • (1994) Organometallics , vol.13 , pp. 2987
    • Cundari, T.R.1
  • 150
    • 33748353251 scopus 로고
    • C - H Bond Addition to a V=NR Bond: Hydrocarbon Activation by a Sterically Crowded Vanadium System
    • J. de With and A. D. Horton, Angew. Chem., Int. Ed. Engl., 32, 903 (1993). C - H Bond Addition to a V=NR Bond: Hydrocarbon Activation by a Sterically Crowded Vanadium System.
    • (1993) Angew. Chem., Int. Ed. Engl. , vol.32 , pp. 903
    • De With, J.1    Horton, A.D.2
  • 151
    • 0348091700 scopus 로고
    • Gas-Phase Chemistry of First-Row Transition Metal Ions with Nitrogen-Containing Compounds: Theoretical and Experimental Investigations
    • T. J. Marks, Ed., American Chemical Society, Washington, DC
    • A. Mavridis, K. Kunze, J. F. Harrison, and J. Allison, in Bonding Energetics in Organometallic Compounds, T. J. Marks, Ed., American Chemical Society, Washington, DC, 1990, p. 263. Gas-Phase Chemistry of First-Row Transition Metal Ions with Nitrogen-Containing Compounds: Theoretical and Experimental Investigations.
    • (1990) Bonding Energetics in Organometallic Compounds , pp. 263
    • Mavridis, A.1    Kunze, K.2    Harrison, J.F.3    Allison, J.4
  • 154
    • 0000496366 scopus 로고
    • Theoretical Study of the Activation of Alkane Carbon-Hydrogen and Carbon-Carbon Bonds by Different Transition Metals
    • (d) M. R. A. Blomberg, P. E. M. Siegbahn, U. Nagashima, and J. Wennerberg, J. Am. Chem. Soc., 113, 424 (1991). Theoretical Study of the Activation of Alkane Carbon-Hydrogen and Carbon-Carbon Bonds by Different Transition Metals.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 424
    • Blomberg, M.R.A.1    Siegbahn, P.E.M.2    Nagashima, U.3    Wennerberg, J.4
  • 157
    • 0028137987 scopus 로고
    • Rhenium-Oxo-Bis(acetylene) Anions: Structure, Properties, and Electronic Structure. Comparison of Re-O Bonding with That in Other Rhenium-Oxo Complexes
    • T. R. Cundari, S. C. Critchlow, R. R. Conry, E. Spaltenstein, K. A. Hall, S. Tahmassebi, and J. M. Mayer, Organometallics, 13, 322 (1994). Rhenium-Oxo-Bis(acetylene) Anions: Structure, Properties, and Electronic Structure. Comparison of Re-O Bonding with That in Other Rhenium-Oxo Complexes.
    • (1994) Organometallics , vol.13 , pp. 322
    • Cundari, T.R.1    Critchlow, S.C.2    Conry, R.R.3    Spaltenstein, E.4    Hall, K.A.5    Tahmassebi, S.6    Mayer, J.M.7
  • 160
    • 36549090619 scopus 로고
    • Theoretical Spectroscopic Parameters for the Low-Lying States of the Second-Row Transition Metal Hydrides
    • S. R. Langhoff, L. G. M. Petterson, C. W. Bauschlicher, and H. Partridge, J. Chem. Phys., 86, 268 (1987). Theoretical Spectroscopic Parameters for the Low-Lying States of the Second-Row Transition Metal Hydrides.
    • (1987) J. Chem. Phys. , vol.86 , pp. 268
    • Langhoff, S.R.1    Petterson, L.G.M.2    Bauschlicher, C.W.3    Partridge, H.4
  • 161
    • 0002899444 scopus 로고
    • The Quest for Terminal Phosphinidene Complexes
    • TM=pnictogen complexes: (a) A. H. Cowley, and A. R. Barron, Acc. Chem. Res., 21, 81 (1988). The Quest for Terminal Phosphinidene Complexes.
    • (1988) Acc. Chem. Res. , vol.21 , pp. 81
    • Cowley, A.H.1    Barron, A.R.2
  • 165
    • 0000205662 scopus 로고
    • Cleavage of a Phosphorus-Carbon Double Bond and Formation of a Linear Terminal Phosphinidene Complex
    • (e) A. H. Cowley, B. Pellerin, J. L. Atwood, and S. G. Bott, J. Am. Chem. Soc., 112, 6734 (1990). Cleavage of a Phosphorus-Carbon Double Bond and Formation of a Linear Terminal Phosphinidene Complex.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 6734
    • Cowley, A.H.1    Pellerin, B.2    Atwood, J.L.3    Bott, S.G.4
  • 166
    • 0001230277 scopus 로고
    • Synthetic and Structural Studies on Some Bis(cyclopentadienyl)molybdenum and -tungsten Complexes Containing Doubly Bonded Tin or Phosphorus
    • (f) R. Bohra, P. B. Hitchcock, M. F. Lappert, and W. P. Leung, Polyhedron, 8, 1884 (1989). Synthetic and Structural Studies on Some Bis(cyclopentadienyl)molybdenum and -tungsten Complexes Containing Doubly Bonded Tin or Phosphorus.
    • (1989) Polyhedron , vol.8 , pp. 1884
    • Bohra, R.1    Hitchcock, P.B.2    Lappert, M.F.3    Leung, W.P.4
  • 169
    • 0001272642 scopus 로고
    • Synthesis of Reactive Homoleptic Tellurolates of Zirconium and Hafnium Tellurides: A Model for the First Step in a Molecule-to-Solid Transformation
    • V. Christou and J. Arnold, J. Am. Chem. Soc., 114, 6240 (1992). Synthesis of Reactive Homoleptic Tellurolates of Zirconium and Hafnium Tellurides: A Model for the First Step in a Molecule-to-Solid Transformation.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 6240
    • Christou, V.1    Arnold, J.2
  • 172
    • 3743128961 scopus 로고
    • Transition Metal Complexes with Derivatives of Divalent Silicon, Germanium, Tin, and Lead as Ligands
    • (l) W. Petz, Chem. Rev., 86, 1019 (1986). Transition Metal Complexes with Derivatives of Divalent Silicon, Germanium, Tin, and Lead as Ligands.
    • (1986) Chem. Rev. , vol.86 , pp. 1019
    • Petz, W.1
  • 173
    • 84985628240 scopus 로고
    • Multiple Bonds between Transition Metals and Bare Main Group Elements: Links between Inorganic Solid State Chemistry and Organometallic Chemistry
    • (m) W. A. Herrmann, Angew. Chem., Int. Ed. Engl., 25, 56 (1986). Multiple Bonds Between Transition Metals and Bare Main Group Elements: Links Between Inorganic Solid State Chemistry and Organometallic Chemistry.
    • (1986) Angew. Chem., Int. Ed. Engl. , vol.25 , pp. 56
    • Herrmann, W.A.1
  • 174
    • 0000602079 scopus 로고
    • Transition Metal Imido Complexes
    • D. E. Wigley, Progr. Inorg. Chem.,42, 239 (1995). Transition Metal Imido Complexes.
    • (1995) Progr. Inorg. Chem. , vol.42 , pp. 239
    • Wigley, D.E.1
  • 175
    • 0000540955 scopus 로고
    • Transition Metal Imido Complexes
    • T. R. Cundari, J. Am. Chem. Soc., 114, 7879 (1992). Transition Metal Imido Complexes.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 7879
    • Cundari, T.R.1
  • 178
    • 0001672721 scopus 로고
    • 2: The First Transition Metal Complex with a Terminal Tellurido Ligand
    • 2: The First Transition Metal Complex with a Terminal Tellurido Ligand.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 9421
    • Rabinovich, D.1    Parkin, G.2
  • 180
    • 19944414591 scopus 로고
    • personal communication
    • G. Parkin, personal communication, 1994.
    • (1994)
    • Parkin, G.1
  • 182
    • 84987084448 scopus 로고
    • Effective Core Potential Study of Multiply Bonded Transition Metal Complexes of the Heavier Main Group Elements
    • M. T. Benson, T. R. Cundari, Y. Li, and L. A. Strohecker, Int. J. Quantum Chem., Symp., 28, 181 (1994). Effective Core Potential Study of Multiply Bonded Transition Metal Complexes of the Heavier Main Group Elements.
    • (1994) Int. J. Quantum Chem., Symp. , vol.28 , pp. 181
    • Benson, M.T.1    Cundari, T.R.2    Li, Y.3    Strohecker, L.A.4
  • 184
    • 0039211229 scopus 로고
    • 2 W-Imido Complex: Comparison of [2 + 2] and Oxidative Additional Pathways
    • (b) T. R. Cundari, Organometallics, 12, 4971 (1993). C - H Activation by
    • (1993) Organometallics , vol.12 , pp. 4971
    • Cundari, T.R.1
  • 187
  • 189
    • 0001756696 scopus 로고
    • Syntheses and Molecular and Electronic Structure of Tris(arylimido)technetium(VI) and -(V) Complexes Derived from Successive One-Electron Reductions of Tris(arylimido)iodotechnetium(VII)
    • A. K. Burrell, D. L. Clark, P. L. Gordon, A. P. Sattelberger, and J. C. Bryan, J. Am. Chem. Soc., 116, 3813 (1994). Syntheses and Molecular and Electronic Structure of Tris(arylimido)technetium(VI) and -(V) Complexes Derived from Successive One-Electron Reductions of Tris(arylimido)iodotechnetium(VII).
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 3813
    • Burrell, A.K.1    Clark, D.L.2    Gordon, P.L.3    Sattelberger, A.P.4    Bryan, J.C.5
  • 191
    • 0000537269 scopus 로고
    • Planar "20-Electron" Osmium Imido Complexes. A Linear Imido Ligand Does Not Necessarily Donate Its Lone Pair to the Metal
    • (c) D. S. Williams, J. T. Anhaus, M. H. Schofield, R. R. Schrock, and W. M. Davis, J. Am. Chem. Soc., 112, 1642 (1990). Planar "20-Electron" Osmium Imido Complexes. A Linear Imido Ligand Does Not Necessarily Donate Its Lone Pair to the Metal.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 1642
    • Williams, D.S.1    Anhaus, J.T.2    Schofield, M.H.3    Schrock, R.R.4    Davis, W.M.5
  • 194
    • 0001570177 scopus 로고
    • Synthesis and Reactivity of a Series of Analogous Rhenium Tris(imido), Bis(imido) Alkyne, and Imido Bis(Alkyne) Complexes
    • (f) D. S. Williams and R. R. Schrock, Organometallics, 12, 1148 (1993). Synthesis and Reactivity of a Series of Analogous Rhenium Tris(imido), Bis(imido) Alkyne, and Imido Bis(Alkyne) Complexes.
    • (1993) Organometallics , vol.12 , pp. 1148
    • Williams, D.S.1    Schrock, R.R.2
  • 197
    • 37049078076 scopus 로고
    • Non-Oxo Chemistry of Manganese in High Oxidation States. Part 1. Mononuclear tert-Butylimido Compounds of Manganese (VII) and -(VI)
    • (i) A. A. Danopoulos, G. Wilkinson, T. K. N. Sweet, and M. B. Hursthouse, J. Chem. Soc., Dalton Trans., 1037 (1994). Non-Oxo Chemistry of Manganese in High Oxidation States. Part 1. Mononuclear tert-Butylimido Compounds of Manganese (VII) and -(VI).
    • (1994) J. Chem. Soc., Dalton Trans. , pp. 1037
    • Danopoulos, A.A.1    Wilkinson, G.2    Sweet, T.K.N.3    Hursthouse, M.B.4
  • 201
    • 0001821018 scopus 로고
    • An Interpretation of Organometallic Bond Dissociation Energies
    • R. S. Drago, N. M. Wong, and D. C. Ferris, J. Am. Chem. Soc., 114, 91 (1992). An Interpretation of Organometallic Bond Dissociation Energies.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 91
    • Drago, R.S.1    Wong, N.M.2    Ferris, D.C.3
  • 202
    • 0000751979 scopus 로고
    • Methane Conversion - A Challenge to the Industrial Chemist
    • An interesting discussion of the methane conversion problem from the industrial point of view is given in N. D. Parkyns, Chem. Br., 9, 841 (1990). Methane Conversion - A Challenge to the Industrial Chemist.
    • (1990) Chem. Br. , vol.9 , pp. 841
    • Parkyns, N.D.1
  • 203
    • 0000398648 scopus 로고
    • The Homogeneous Activation of Carbon-Hydrogen Bonds by High-Valent Early d-Block, Lanthanide and Actinide Systems
    • C. L. Hill, Ed., Wiley, New York
    • I. P. Rothwell, in Activation and Functionalization of Alkanes, C. L. Hill, Ed., Wiley, New York, 1988, pp. 151-194. The Homogeneous Activation of Carbon-Hydrogen Bonds by High-Valent Early d-Block, Lanthanide and Actinide Systems.
    • (1988) Activation and Functionalization of Alkanes , pp. 151-194
    • Rothwell, I.P.1
  • 204
    • 0000683247 scopus 로고
    • Thermochemically Based Strategies for C - H Activation on Saturated Hydrocarbon Molecules. Ring-Opening Reactions of Thoracyclobutane with Tetramethyl Silane and Methane
    • C. M. Fendrick, and T. J. Marks, J. Am. Chem. Soc., 106, 2214 (1984). Thermochemically Based Strategies for C - H Activation on Saturated Hydrocarbon Molecules. Ring-Opening Reactions of Thoracyclobutane with Tetramethyl Silane and Methane.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 2214
    • Fendrick, C.M.1    Marks, T.J.2
  • 205
    • 0011554515 scopus 로고
    • C - H Bond Activation with Complexes of Lanthanide and Actinide Elements
    • J. A. Davies, Ed., VCH Publishers, New York
    • P. L. Watson, in Selective Hydrocarbon Activation, J. A. Davies, Ed., VCH Publishers, New York, 1990, pp. 79-112. C - H Bond Activation with Complexes of Lanthanide and Actinide Elements.
    • (1990) Selective Hydrocarbon Activation , pp. 79-112
    • Watson, P.L.1
  • 206
    • 33750267418 scopus 로고
    • "σ-Bond Metathesis" for C - H bonds of Hydrocarbons and Sc - R (R = H, alkyl, aryl) Bonds of Permethylscandocene Derivatives. Evidence for Noninvolvement of the π System in Electrophilic Activation of Aromatic and Vinylic C - H Bonds
    • M. E. Thompson, S. M. Baxter, A. R. Bulls, B. J. Burger, M. C. Nolan, B. D. Santarsiero, W. P. Schaefer, and J. E. Bercaw, J. Am. Chem. Soc., 109, 203 (1987). "σ-Bond Metathesis" for C - H bonds of Hydrocarbons and Sc - R (R = H, alkyl, aryl) Bonds of Permethylscandocene Derivatives. Evidence for Noninvolvement of the π System in Electrophilic Activation of Aromatic and Vinylic C - H Bonds.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 203
    • Thompson, M.E.1    Baxter, S.M.2    Bulls, A.R.3    Burger, B.J.4    Nolan, M.C.5    Santarsiero, B.D.6    Schaefer, W.P.7    Bercaw, J.E.8
  • 207
    • 0011527343 scopus 로고
    • Alkane Activation Processes by Cyclopentadienyl Complexes of Rhodium, Iridium and Related Species
    • C. L. Hill, Ed., Wiley, New York
    • W. D. Jones, in Activation and Functionalization of Alkanes, C. L. Hill, Ed., Wiley, New York, 1988, pp. 111-149. Alkane Activation Processes by Cyclopentadienyl Complexes of Rhodium, Iridium and Related Species.
    • (1988) Activation and Functionalization of Alkanes , pp. 111-149
    • Jones, W.D.1
  • 212
    • 21344480136 scopus 로고
    • Effective Core Potential Study of Transition and Lanthanide Metal Catalyzed Hydrogen Exchange
    • T. R. Cundari, S. O. Sommerer, and W. J. Stevens, Chem. Phys., 178, 235 (1993). Effective Core Potential Study of Transition and Lanthanide Metal Catalyzed Hydrogen Exchange.
    • (1993) Chem. Phys. , vol.178 , pp. 235
    • Cundari, T.R.1    Sommerer, S.O.2    Stevens, W.J.3
  • 213
    • 5244220326 scopus 로고
    • Small Molecule Elimination from Group IVB Amido Complexes
    • T. R. Cundari and M. S. Gordon, J. Am. Chem. Soc., 115, 4210 (1993). Small Molecule Elimination from Group IVB Amido Complexes.
    • (1993) J. Am. Chem. Soc. , vol.115 , pp. 4210
    • Cundari, T.R.1    Gordon, M.S.2
  • 215
    • 45549120785 scopus 로고
    • Gas Phase Structure of Metal Halides
    • M. Hargittai, Coord. Chem. Rev., 91, 35 (1988). Gas Phase Structure of Metal Halides.
    • (1988) Coord. Chem. Rev. , vol.91 , pp. 35
    • Hargittai, M.1
  • 216
    • 0000390288 scopus 로고
    • Electron Diffraction Study of Trimethylgallium
    • B. Beagley, D. G. Schmidling, and I. A. Steen, J. Mol. Struct., 21, 437 (1974), and references therein. Electron Diffraction Study of Trimethylgallium.
    • (1974) J. Mol. Struct. , vol.21 , pp. 437
    • Beagley, B.1    Schmidling, D.G.2    Steen, I.A.3
  • 219
    • 0000313458 scopus 로고
    • Gas-Phase Rates of Alkane C - H Oxidative Addition to a Transient CpRH(CO) Comple
    • (a) E. P. Wasserman, C. B. Moore, and R. G. Bergman, Science, 225, 315 (1992). Gas-Phase Rates of Alkane C - H Oxidative Addition to a Transient CpRH(CO) Comple.
    • (1992) Science , vol.225 , pp. 315
    • Wasserman, E.P.1    Moore, C.B.2    Bergman, R.G.3
  • 220
    • 33845280149 scopus 로고
    • Multicollision Chemistry of Gas-Phase Transition Metal Ions with Small Alkanes. Rate Constants and Product Branching at 0.75 torr of He
    • (b) R. Tonkyn, M. Ronan, and J. C. Weisshaar, J. Phys. Chem., 92, 92 (1988). Multicollision Chemistry of Gas-Phase Transition Metal Ions with Small Alkanes. Rate Constants and Product Branching at 0.75 torr of He.
    • (1988) J. Phys. Chem. , vol.92 , pp. 92
    • Tonkyn, R.1    Ronan, M.2    Weisshaar, J.C.3
  • 222
    • 0042540974 scopus 로고
    • C - H and H - H Activation in Transition Metal Complexes and on Surfaces
    • R. Hoffmann and J. Y. Saillard, J. Am. Chem. Soc., 106, 2006 (1984). C - H and H - H Activation in Transition Metal Complexes and on Surfaces.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 2006
    • Hoffmann, R.1    Saillard, J.Y.2
  • 223
    • 19944399016 scopus 로고
    • Organolanthanides in Catalysis
    • (a) G. W. Parshall and P. L. Watson, Acc. Chem. Res., 18, 51 (1985). Organolanthanides in Catalysis.
    • (1985) Acc. Chem. Res. , vol.18 , pp. 51
    • Parshall, G.W.1    Watson, P.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.